3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide

C18H20BrNO2 — CID 99872845

IUPAC3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2/c19-17-8-4-7-16(13-17)18(22)20-11-9-15(10-12-21)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,20,22)/t15-/m0/s1
InChIKeyJUKWHVWPUJLDDN-HNNXBMFYSA-N
MW362.27 g/mol
LogP3.74
Rot. Bonds7

About 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide

3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide (PubChem CID 99872845) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
PubChem CID99872845
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2/c19-17-8-4-7-16(13-17)18(22)20-11-9-15(10-12-21)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,20,22)/t15-/m0/s1
InChIKeyJUKWHVWPUJLDDN-HNNXBMFYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
4-ethoxy-N-(5-hydroxy-3-phenylpentyl)benzamide
CID 121112163
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
2-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357
N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
CID 99872827
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The IUPAC name of 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide (CID 99872845) is 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The canonical SMILES for 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide is O=C(NCC[C@@H](CCO)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
The InChIKey is JUKWHVWPUJLDDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-17-8-4-7-16(13-17)18(22)20-11-9-15(10-12-21)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide?
3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide has a molecular weight of 362.27 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide is sourced from PubChem (CID 99872845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).